The role of gold atom concentration in the formation of Cu–Au nanoparticles from the gas phase

Beilstein Journal of Nanotechnology

article

Yuri Ya. Gafner¹  Svetlana L. Gafner¹  Darya A. Ryzkova¹  Andrey V. Nomoev² 

[1] Katanov Khakas State University, Physic Department;Institute of Physical Materials Science, Siberian Branch of the Russian Academy of Sciences

关键词: binary nanoparticles;    computer simulation;    copper;    gold;    moleculardynamics;   

DOI  :  10.3762/bjnano.12.6

学科分类：环境监测和分析

来源: Beilstein - Institut zur Foerderung der Chemischen Wissenschaften

【 摘 要 】

The synthesis of bimetallic nanoparticles need to be controlled in order to obtain particles of a desired size, spatial structure, andchemical composition. In the synthesis of the Cu–Au nanoparticles studied here, nanoparticles can be obtained through eitherchemical or physical methods, each of which has its own drawbacks. Although it is very difficult to achieve the required targetchemical composition of nanoparticles during chemical synthesis, their size can be stabilized quite well. In turn, physical synthesismethods mainly allow to maintain the required chemical composition; however, the size of the resulting particles varies significantly. To solve this issue, we studied the formation of Cu–Au nanoparticles with different chemical compositions from a gaseousmedium using computer molecular dynamics (MD) simulation. The aim was to determine the effect of the concentration of goldatoms on the size and on the actual chemical composition of the formed bimetallic nanoparticles. The modeled region had a cubicshape with a face length of 1350 Bohr radii and contained a total of 91125 copper and gold atoms uniformly distributed in space.Thus, based on the results of the MD simulation, it was concluded that an increase in the percentage of gold atoms in the initialvapor phase led to a decrease in the size of the synthesized nanoparticles. In addition, it was found that clusters with a size of morethan 400–500 atoms, regardless of the chemical composition of the initial vapor phase, basically corresponded to a given targetcomposition.

【 授权许可】

CC BY